SCHEMBL28983094

SCHEMBL28983094

O=C(c1ccccc1)c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ LTB4R2 Q9NPC1 3/20 0.41
▸ ACMSD Q8TDX5 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30370112 0.90 MEN1 (0.41) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL17955198 0.89 LTB4R2 (0.49) MEN1KMT2ASMN1; SMN2MAPTLTB4R2
SCHEMBL17950659 0.87 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2MAPTLTB4R2
SCHEMBL17950130 0.86 LTB4R2 (0.45) MEN1KMT2ASMN1; SMN2LTB4R2ALDH1A1
SCHEMBL17950260 0.85 LTB4R2 (0.46) MEN1KMT2ASMN1; SMN2LTB4R2ALDH1A1
SCHEMBL17950663 0.85 LTB4R2 (0.46) MEN1KMT2ASMN1; SMN2LTB4R2ALDH1A1
SCHEMBL30370360 0.81 ACHE (0.50) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL17950664 0.80 AKR1C3 (0.44) MEN1KMT2ASMN1; SMN2MAPTLTB4R2
SCHEMBL17952446 0.80 LTB4R2 (0.42) MEN1KMT2ASMN1; SMN2MAPTLTB4R2
SCHEMBL17851136 0.80 CYP2C9 (0.49) MEN1KMT2AMAPTLTB4R2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926782-A Preparation method and application of organic long-afterglow composition 厦门大学 2023-04-07 — — CN disclosed
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